2-Formylcinchoninic acid methylhydrazone hydrate

Base Information

• Chemical Name: 2-Formylcinchoninic acid methylhydrazone hydrate
• CAS No.: 62604-49-3
• Molecular Formula: C12H13N3O3
• Molecular Weight: 247.2499
• Mol file: 62604-49-3.mol

Synonyms:2-Formylcinchoninic acid methylhydrazone hydrate;Cinchoninic acid, 2-formyl-, methylhydrazone, monohydrate;4-Quinolinecarboxylic acid, 2-((methylhydrazono)methyl)-, monohydrate;62604-49-3;C12H11N3O2.H2O;C12-H11-N3-O2.H2-O;LS-53790

Chemical Property of 2-Formylcinchoninic acid methylhydrazone hydrate

Chemical Property:

• Vapor Pressure: 4.43E-09mmHg at 25°C
• Boiling Point: 455.3°Cat760mmHg
• Flash Point: 229.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 247.09569129
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNN=CC1=NC2=CC=CC=C2C(=C1)C(=O)O.O
• Isomeric SMILES: CN/N=C/C1=NC2=CC=CC=C2C(=C1)C(=O)O.O

Technology Process of 2-Formylcinchoninic acid methylhydrazone hydrate

There total 3 articles about 2-Formylcinchoninic acid methylhydrazone hydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.1%

2-formylquinoline-4-carboxylic acid (36783-44-5) + methylhydrazine (60-34-4) → 2-(Methyl-hydrazonomethyl)-quinoline-4-carboxylic acid (62604-49-3)

Guidance literature:

In ethanol; at 65 - 70 ℃; for 0.5h;

DOI:10.1007/BF00762028

Reference yield:

2-methylquinoline-4-carboxylic acid (634-38-8) → 2-(Methyl-hydrazonomethyl)-quinoline-4-carboxylic acid (62604-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90.4 percent / SeO₂ / dioxane / 5 h / 100 - 110 °C

2: 76.1 percent / aq. ethanol / 0.5 h / 65 - 70 °C

With selenium(IV) oxide; In 1,4-dioxane; ethanol;

DOI:10.1007/BF00762028

Reference yield:

→ 2-(Methyl-hydrazonomethyl)-quinoline-4-carboxylic acid (62604-49-3)

Guidance literature:

Hydrat: 2-Formyl-4-carboxy-chinolin, Methylhydrazin;

upstream raw materials:

2-formylquinoline-4-carboxylic acid

methylhydrazine

2-methylquinoline-4-carboxylic acid

Refernces